1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol

C29H36O2Si — CID 142668206

IUPAC1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol
SMILESCC(C)(C)[Si](OC1CCC(C(O)Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36O2Si/c1-29(2,3)32(26-15-9-5-10-16-26,27-17-11-6-12-18-27)31-25-20-19-24(22-25)28(30)21-23-13-7-4-8-14-23/h4-18,24-25,28,30H,19-22H2,1-3H3
InChIKeyLDATVLRJIMMWFX-UHFFFAOYSA-N
MW444.69 g/mol
LogP5.34
Rot. Bonds7

About 1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol

1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol (PubChem CID 142668206) has the molecular formula C29H36O2Si and a molecular weight of 444.69 g/mol. Its IUPAC name is 1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol.

Molecular Properties

Compound Name1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol
PubChem CID142668206
Molecular FormulaC29H36O2Si
Molecular Weight444.69 g/mol
Exact Mass444.25
IUPAC Name1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol
SMILESCC(C)(C)[Si](OC1CCC(C(O)Cc2ccccc2)C1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C29H36O2Si/c1-29(2,3)32(26-15-9-5-10-16-26,27-17-11-6-12-18-27)31-25-20-19-24(22-25)28(30)21-23-13-7-4-8-14-23/h4-18,24-25,28,30H,19-22H2,1-3H3
InChIKeyLDATVLRJIMMWFX-UHFFFAOYSA-N
XLogP5.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.69
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,4R)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-diamine
CID 177070919
3-[tert-butyl(diphenyl)silyl]oxycyclobutan-1-ol
CID 59414974
1-O-methyl 2-O-(2-methylpropyl) 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-dicarboxylate
CID 67213573
4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diamine;4-[tert-butyl(diphenyl)silyl]oxycyclopentane-1,2-diol
CID 159197453
3-bicyclo[3.1.0]hexanyloxy-tert-butyl-diphenylsilane
CID 154401251
propan-2-yl 4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1-carboxylate
CID 71016910
2-[(1S,3R)-3-[tert-butyl(diphenyl)silyl]oxycyclohexyl]acetaldehyde
CID 86594888
1-O-tert-butyl 2-O-methyl (1R,2S,4S)-4-[tert-butyl(diphenyl)silyl]oxycyclohexane-1,2-dicarboxylate
CID 162424135
(3-bromocyclobutyl)oxy-tert-butyl-diphenylsilane
CID 142577121
1-[4-[tert-butyl(diphenyl)silyl]oxycyclohexyl]-2-chloroethanone
CID 88611275
tert-butyl-(3-butylcyclohexyl)oxy-diphenylsilane
CID 58800360
tert-butyl-cyclopent-3-en-1-yloxy-diphenylsilane
CID 11347853

Frequently Asked Questions

What is the IUPAC name of 1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol?
The IUPAC name of 1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol (CID 142668206) is 1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol.
What is the SMILES notation for 1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol?
The canonical SMILES for 1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol is CC(C)(C)[Si](OC1CCC(C(O)Cc2ccccc2)C1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol?
The InChIKey is LDATVLRJIMMWFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36O2Si/c1-29(2,3)32(26-15-9-5-10-16-26,27-17-11-6-12-18-27)31-25-20-19-24(22-25)28(30)21-23-13-7-4-8-14-23/h4-18,24-25,28,30H,19-22H2,1-3H3.
What are the key properties of 1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol?
1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol has a molecular weight of 444.69 g/mol, XLogP of 5.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[tert-butyl(diphenyl)silyl]oxycyclopentyl]-2-phenylethanol is sourced from PubChem (CID 142668206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).